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Issue 8, 2015
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Testing and validating electroanalytical simulations

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Abstract

Digital simulations are a commonly used tool in electrochemical and electroanalytical research. However, even though the employed computational methods often feature significant complexity, testing routines are rarely specified or discussed in literature. In this work, we address this topic and describe approaches towards testing electrochemical simulation software. While focussing on simple systems featuring Nernstian reactions in 1 : 1 stoichiometries, we guide through rigorous testing processes of one- and two dimensional simulations with regard to applications in cyclic voltammetry. To this end, we compile expressions for the calculation of key values as references, discuss the conduction of convergence studies, and suggest approaches to automated software testing.

Graphical abstract: Testing and validating electroanalytical simulations

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Article information


Submitted
11 Dec 2014
Accepted
28 Jan 2015
First published
29 Jan 2015

Analyst, 2015,140, 2592-2598
Article type
Tutorial Review

Testing and validating electroanalytical simulations

E. Kätelhön and R. G. Compton, Analyst, 2015, 140, 2592
DOI: 10.1039/C4AN02276A

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